acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

C147H163BBr2N16O21 — CID 161006660

About acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 161006660) has the molecular formula C147H163BBr2N16O21 and a molecular weight of 2660.63 g/mol. Its IUPAC name is acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• PubChem CID: 161006660
• Molecular Formula: C147H163BBr2N16O21
• Molecular Weight: 2660.63 g/mol
• Exact Mass: 2657.06
• IUPAC Name: acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
• SMILES: Brc1ccc2c(c1)oc1cc(-c3cnc(C4CCCC4)[nH]3)ccc12.CC(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(-c3ccc4c(c3)oc3cc(-c5cnc(C6CCCC6)[nH]5)ccc34)cc2C1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=Nc2ccc(-c3ccc4c(c3)oc3cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc34)cc2C1)C(C)C.N.O=C(COC(=O)C1CCCC1)c1ccc2c(c1)oc1cc(Br)ccc12
• InChI: InChI=1S/C45H51N7O7.C37H38N4O3.C23H33BN2O4.C20H17BrN2O.C20H17BrO4.C2H4O2.H3N/c1-24(2)39(49-44(55)57-5)42(53)51-17-7-9-35(51)33-20-29-19-26(13-16-32(29)47-33)27-11-14-30-31-15-12-28(22-38(31)59-37(30)21-27)34-23-46-41(48-34)36-10-8-18-52(36)43(54)40(25(3)4)50-45(56)58-6;1-37(2,3)44-36(42)41-16-6-9-32(41)30-18-26-17-23(12-15-29(26)39-30)24-10-13-27-28-14-11-25(20-34(28)43-33(27)19-24)31-21-38-35(40-31)22-7-4-5-8-22;1-21(2,3)28-20(27)26-12-8-9-19(26)18-14-15-13-16(10-11-17(15)25-18)24-29-22(4,5)23(6,7)30-24;21-14-6-8-16-15-7-5-13(9-18(15)24-19(16)10-14)17-11-22-20(23-17)12-3-1-2-4-12;21-14-6-8-16-15-7-5-13(9-18(15)25-19(16)10-14)17(22)11-24-20(23)12-3-1-2-4-12;1-2(3)4;/h11-16,19,21-25,35-36,39-40H,7-10,17-18,20H2,1-6H3,(H,46,48)(H,49,55)(H,50,56);10-15,17,19-22,32H,4-9,16,18H2,1-3H3,(H,38,40);10-11,13,19H,8-9,12,14H2,1-7H3;5-12H,1-4H2,(H,22,23);5-10,12H,1-4,11H2;1H3,(H,3,4);1H3/t35-,36-,39-,40-;32-;19-;;;;/m000..../s1
• InChIKey: MNNFVOBDNZSDBK-MRSMHHRQSA-N
• XLogP: 32.94
• TPSA: 486.17 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2660.63
LogP ≤ 5	32.94
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The IUPAC name of acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CID 161006660) is acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The canonical SMILES for acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is Brc1ccc2c(c1)oc1cc(-c3cnc(C4CCCC4)[nH]3)ccc12.CC(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(-c3ccc4c(c3)oc3cc(-c5cnc(C6CCCC6)[nH]5)ccc34)cc2C1.CC(C)(C)OC(=O)N1CCC[C@H]1C1=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=Nc2ccc(-c3ccc4c(c3)oc3cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc34)cc2C1)C(C)C.N.O=C(COC(=O)C1CCCC1)c1ccc2c(c1)oc1cc(Br)ccc12.

What is the InChIKey of acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

The InChIKey is MNNFVOBDNZSDBK-MRSMHHRQSA-N. The full InChI is InChI=1S/C45H51N7O7.C37H38N4O3.C23H33BN2O4.C20H17BrN2O.C20H17BrO4.C2H4O2.H3N/c1-24(2)39(49-44(55)57-5)42(53)51-17-7-9-35(51)33-20-29-19-26(13-16-32(29)47-33)27-11-14-30-31-15-12-28(22-38(31)59-37(30)21-27)34-23-46-41(48-34)36-10-8-18-52(36)43(54)40(25(3)4)50-45(56)58-6;1-37(2,3)44-36(42)41-16-6-9-32(41)30-18-26-17-23(12-15-29(26)39-30)24-10-13-27-28-14-11-25(20-34(28)43-33(27)19-24)31-21-38-35(40-31)22-7-4-5-8-22;1-21(2,3)28-20(27)26-12-8-9-19(26)18-14-15-13-16(10-11-17(15)25-18)24-29-22(4,5)23(6,7)30-24;21-14-6-8-16-15-7-5-13(9-18(15)24-19(16)10-14)17-11-22-20(23-17)12-3-1-2-4-12;21-14-6-8-16-15-7-5-13(9-18(15)25-19(16)10-14)17(22)11-24-20(23)12-3-1-2-4-12;1-2(3)4;/h11-16,19,21-25,35-36,39-40H,7-10,17-18,20H2,1-6H3,(H,46,48)(H,49,55)(H,50,56);10-15,17,19-22,32H,4-9,16,18H2,1-3H3,(H,38,40);10-11,13,19H,8-9,12,14H2,1-7H3;5-12H,1-4H2,(H,22,23);5-10,12H,1-4,11H2;1H3,(H,3,4);1H3/t35-,36-,39-,40-;32-;19-;;;;/m000..../s1.

What are the key properties of acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate?

acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 2660.63 g/mol, XLogP of 32.94, 22 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 161006660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).